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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1497327
CHEMBL1497327
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H15NO4

Additional synonyms for CHEMBL1497327 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)c1cc(c2ccccc2)n(CC(=O)O)c1C
Standard InChI InChI=1S/C15H15NO4/c1-10-12(15(19)20-2)8-13(16(10)9-14(17)18 ...
Download InChI
Standard InChI Key XWFQGHRGATUGJU-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1497327

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
273.3 273.1001 2.33 4 68.53 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.47 - 3.32 -.4 2 20 0.87

Structural Alerts

There are 1 structural alerts for CHEMBL1497327. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XWFQGHRGATUGJU-UHFFFAOYSA-N
PubChem SID: 4245848

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1497327



eMolecules 6683457
Mcule MCULE-7393101879
MolPort MolPort-007-981-005
PubChem 3240268
ZINC ZINC000000265884

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/XWFQGHRGATUGJU-UHFFFAOYSA-N spacer
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